SCHEMBL2010896

SCHEMBL2010896

Cc1c(C(=O)N(C)C(CCNC(=O)c2cccn2C)Cc2ccccc2)oc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.58
HCRTR2 O43614 2/20 0.58
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
CAPN1 P07384 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2014119 0.83 HCRTR1 (0.59) HCRTR1HCRTR2RAB9ANPC1KMT2A
SCHEMBL2015468 0.83 HCRTR1 (0.58) HCRTR1HCRTR2RAB9ANPC1HDAC1
SCHEMBL13139060 0.82 HCRTR1 (0.77) HCRTR1HCRTR2RAB9ANPC1KMT2A
SCHEMBL2014644 0.80 HCRTR1 (0.59) HCRTR1HCRTR2RAB9ANPC1HDAC1
SCHEMBL2014998 0.80 HCRTR1 (0.59) HCRTR1HCRTR2RAB9ANPC1HDAC1
SCHEMBL13139102 0.80 HCRTR1 (0.71) HCRTR1HCRTR2RAB9ANPC1KDM4E
SCHEMBL2017043 0.80 HCRTR1 (0.57) HCRTR1HCRTR2RAB9ANPC1SMN1; SMN2
SCHEMBL2051271 0.80 HCRTR1 (0.61) HCRTR1HCRTR2RAB9ANPC1ALDH1A1
SCHEMBL2012147 0.80 HCRTR1 (0.61) HCRTR1HCRTR2RAB9ANPC1ALDH1A1
SCHEMBL13139095 0.79 HCRTR1 (0.70) HCRTR1HCRTR2RAB9ANPC1HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO claimed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed